Geometry & MOs

Info

ID:

324656

PubChem CID:

126678075

Reduced:

ON5H37C51 (1)

Stoich.:

AB5C37D51 (1)

Weight, g/mol:

698.235814

ΔHf, kcal/mol:

219.39

Dipole, Da:

2.95

IP(EA), eV:

 -7.68(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoranthen-2-yl-24-(4-phenylphenyl)-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=CC7=C(C=C64)C8=C(N7C9=CC=CC=C9)C=CC1=C8OC2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations